1-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-benzimidazole-2-thione

Systemtic Name: 1-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-benzimidazole-2-thione Openeye Name: 1-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-benzimidazole-2-thione CAS Name: 1-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-2-benzimidazolethione IUPAC Name: 1-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-3-phenylbenzimidazole-2-thione Traditional Name: 1-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-benzimidazole-2-thione Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N(C2=S)C4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N(C2=S)C4=CC=CC=C4)C5=CC=CC=C5O

InChI

InChI=1S/C24H24N4OS/c29-23-13-7-6-12-22(23)26-16-14-25(15-17-26)18-27-20-10-4-5-11-21(20)28(24(27)30)19-8-2-1-3-9-19/h1-13,29H,14-18H2/p+1